Geometry & MOs

Info

ID:

225146

PubChem CID:

85741997

Reduced:

SO8N15C35H61 (1)

Stoich.:

AB8C15D35E61 (1)

Weight, g/mol:

694.36499

ΔHf, kcal/mol:

-338.72

Dipole, Da:

8.46

IP(EA), eV:

 -9.23(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[4-amino-2-[[2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N

DOS

IR

Vibrations